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6-methyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromen-4-one
6-methyl-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromen-4-one
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+]3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
Isomeric SMILES
CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+]3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C22H21F3N2O2/c1-15-5-6-20-19(11-15)21(28)16(14-29-20)13-26-7-9-27(10-8-26)18-4-2-3-17(12-18)22(23,24)25/h2-6,11-12,14H,7-10,13H2,1H3/p+1
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